Calcium bis[(1S)-1,5-anhydro-1-(7-carboxylato-4,5-dihydroxy-9,10-dioxo-9,10-dihydro-1-anthracenyl)-D-glucitol] | CAS No. 113443-70-2

Calcium bis[(1S)-1,5-anhydro-1-(7-carboxylato-4,5-dihydroxy-9,10-dioxo-9,10-dihydro-1-anthracenyl)-D-glucitol]

Basic Information

CAS Number

113443-70-2

Molecular Formula

C42H34CaO22

Molecular Weight

484.4 g/mol

AD

Basic Physical Properties

Solubility

N/A

C1=CC(=C2C(=C1C3C(C(C(C(O3)CO)O)O)O)C(=O)C4=C(C2=O)C(=CC(=C4)C(=O)O)[O-])[O-].[Ca+2]

InChI

InChI=1S/2C21H18O11.Ca/c2*22-5-11-16(26)18(28)19(29)20(32-11)7-1-2-9(23)14-13(7)15(25)8-3-6(21(30)31)4-10(24)12(8)17(14)27;/h2*1-4,11,16,18-20,22-24,26,28-29H,5H2,(H,30,31);/q;;+2/p-2/t2*11-,16-,18+,19-,20+;/m11./s1

InChIKey

RMOLPHVZUFPZRZ-LUULZKFYSA-L

LogP

-0.03730

Complexity

771

Safety Information

View Safety Information

Storage Conditions

2-8℃

Synonyms & References

English

  • DTXSID00150413
  • 2-Anthroic acid, 9,10-dihydro-9,10-dioxo-5-beta-D-glucopyranosyloxy-4-hydroxy-, calcium salt
  • A-D-glucopyranoside
  • Rhein-8-O-
  • HY-N0312
  • calcium;3-carboxy-9,10-dioxo-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]anthracene-1,8-diolate
  • CS-0008810
  • Glucorein
  • 5-beta-D-Glucopyranosyloxy-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthroic acid calcium salt
  • CHEBI:172683
  • 113443-70-2
  • calcium;4-hydroxy-5-oxido-9,10-dioxo-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]anthracene-2-carboxylate
  • Rhein-8-O-b-D-glucopyranoside
  • Glucorhein
  • FT-0688299
  • 8-Glucosylrhein
  • Rhein-8-glucoside calcium salt
  • Rhein-8-glucoside (calcium)
  • 2-Anthracenecarboxylicacid, 8-b-D-glucopyranosyl-9,10-dihydro-4,5-dihydroxy-9,10-dioxo-,calcium salt (1:1)
  • Rhein-8-O-β-D-glucopyranoside
  • 2-Anthracenecarboxylicacid, 8-b-D-glucopyranosyl-9,10-dihydro-4,5-dihydroxy-9,10-dioxo-,calciu...
  • calcium,3-carboxy-9,10-dioxo-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]anthracene-1,8-diolate
  • Rhein-8-O-Beta-D-glucopyranoside
  • Rhein-8-O-β-D-glucopyranoside(Rhein-8-glucoside calcium )
  • Calcium;6-carboxy-8-hydroxy-9,10-dioxo-4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-
  • Rhein-8-O-|A-D-glucopyranoside
  • Rhein-8-glucoside calcium

MDL Number

MFCD00075898

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